N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

C25H24ClN3O2 — CID 50814002

About N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide

N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (PubChem CID 50814002) has the molecular formula C25H24ClN3O2 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• PubChem CID: 50814002
• Molecular Formula: C25H24ClN3O2
• Molecular Weight: 433.94 g/mol
• Exact Mass: 433.16
• IUPAC Name: N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide
• SMILES: Cc1cccc(CN2CCCN(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C2=O)c1
• InChI: InChI=1S/C25H24ClN3O2/c1-18-4-2-5-19(16-18)17-28-14-3-15-29(25(28)31)23-12-6-20(7-13-23)24(30)27-22-10-8-21(26)9-11-22/h2,4-13,16H,3,14-15,17H2,1H3,(H,27,30)
• InChIKey: GWZCWEWOZJWQAP-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.94
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The IUPAC name of N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide (CID 50814002) is N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide.

What is the SMILES notation for N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The canonical SMILES for N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is Cc1cccc(CN2CCCN(c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)C2=O)c1.

What is the InChIKey of N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

The InChIKey is GWZCWEWOZJWQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O2/c1-18-4-2-5-19(16-18)17-28-14-3-15-29(25(28)31)23-12-6-20(7-13-23)24(30)27-22-10-8-21(26)9-11-22/h2,4-13,16H,3,14-15,17H2,1H3,(H,27,30).

What are the key properties of N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide?

N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide has a molecular weight of 433.94 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-4-[3-[(3-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]benzamide is sourced from PubChem (CID 50814002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).